9-[(4-bromo-3,5-dimethyl-2-pyridinyl)methyl]-6-chloropurin-2-amine

C13H12BrClN6 — CID 16736532

IUPAC9-[(4-bromo-3,5-dimethyl-2-pyridinyl)methyl]-6-chloropurin-2-amine
SMILESCc1cnc(Cn2cnc3c(Cl)nc(N)nc32)c(C)c1Br
InChIInChI=1S/C13H12BrClN6/c1-6-3-17-8(7(2)9(6)14)4-21-5-18-10-11(15)19-13(16)20-12(10)21/h3,5H,4H2,1-2H3,(H2,16,19,20)
InChIKeyOVYYPFLCPREVTJ-UHFFFAOYSA-N
MW367.64 g/mol
LogP2.88
Rot. Bonds2

About 9-[(4-bromo-3,5-dimethyl-2-pyridinyl)methyl]-6-chloropurin-2-amine

9-[(4-bromo-3,5-dimethyl-2-pyridinyl)methyl]-6-chloropurin-2-amine (PubChem CID 16736532) has the molecular formula C13H12BrClN6 and a molecular weight of 367.64 g/mol. Its IUPAC name is 9-[(4-bromo-3,5-dimethyl-2-pyridinyl)methyl]-6-chloropurin-2-amine.

Molecular Properties

Compound Name9-[(4-bromo-3,5-dimethyl-2-pyridinyl)methyl]-6-chloropurin-2-amine
PubChem CID16736532
Molecular FormulaC13H12BrClN6
Molecular Weight367.64 g/mol
Exact Mass366.00
IUPAC Name9-[(4-bromo-3,5-dimethyl-2-pyridinyl)methyl]-6-chloropurin-2-amine
SMILESCc1cnc(Cn2cnc3c(Cl)nc(N)nc32)c(C)c1Br
InChIInChI=1S/C13H12BrClN6/c1-6-3-17-8(7(2)9(6)14)4-21-5-18-10-11(15)19-13(16)20-12(10)21/h3,5H,4H2,1-2H3,(H2,16,19,20)
InChIKeyOVYYPFLCPREVTJ-UHFFFAOYSA-N
XLogP2.88
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.64
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 9-[(4-bromo-3,5-dimethyl-2-pyridinyl)methyl]-6-chloropurin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-chloro-9-[(4-iodo-3,5-dimethylpyridin-2-yl)methyl]-9H-purin-2-amine
CID 11407335
6-chloro-9-{[3,5-dimethyl-4-(methylsulfanyl)pyridin-2-yl]methyl}-9H-purin-2-amine
CID 16735916
6-chloro-9-[(3,5-dimethyl-4-nitropyridin-2-yl)methyl]-9H-purin-2-amine
CID 16735920
6-chloro-9-[(4-chloro-3,5-dimethylpyridin-2-yl)methyl]-9H-purin-2-amine
CID 16736765
6-Chloro-9-(3,4,5-trimethyl-pyridin-2-ylmethyl)-9H-purin-2-ylamine
CID 16736767
6-chloro-9-[(3,5-dimethylpyridin-2-yl)methyl]-9H-purin-2-amine
CID 16736116
9-[(4-amino-3,5-dimethylpyridin-2-yl)methyl]-6-chloro-9H-purin-2-amine
CID 16736766
4-Chloranyl-7-[(4-Chloranyl-3,5-Dimethyl-Pyridin-2-Yl)methyl]pyrrolo[2,3-D]pyrimidin-2-Amine
CID 11324720
2-(2-amino-4-pyridinyl)-6-bromo-N-methyl-1H-imidazo[4,5-b]pyridin-7-amine
CID 70695756
3-[3-[4-(Aminomethyl)phenyl]-6-bromoimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;hydrochloride
CID 60155269
9-[(4-Bromo-2-fluorophenyl)methyl]-6-chloropurine-2,8-diamine
CID 162767120
US10308667, Example 83
CID 134229464

Frequently Asked Questions

What is the IUPAC name of 9-[(4-bromo-3,5-dimethyl-2-pyridinyl)methyl]-6-chloropurin-2-amine?
The IUPAC name of 9-[(4-bromo-3,5-dimethyl-2-pyridinyl)methyl]-6-chloropurin-2-amine (CID 16736532) is 9-[(4-bromo-3,5-dimethyl-2-pyridinyl)methyl]-6-chloropurin-2-amine.
What is the SMILES notation for 9-[(4-bromo-3,5-dimethyl-2-pyridinyl)methyl]-6-chloropurin-2-amine?
The canonical SMILES for 9-[(4-bromo-3,5-dimethyl-2-pyridinyl)methyl]-6-chloropurin-2-amine is Cc1cnc(Cn2cnc3c(Cl)nc(N)nc32)c(C)c1Br.
What is the InChIKey of 9-[(4-bromo-3,5-dimethyl-2-pyridinyl)methyl]-6-chloropurin-2-amine?
The InChIKey is OVYYPFLCPREVTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrClN6/c1-6-3-17-8(7(2)9(6)14)4-21-5-18-10-11(15)19-13(16)20-12(10)21/h3,5H,4H2,1-2H3,(H2,16,19,20).
What are the key properties of 9-[(4-bromo-3,5-dimethyl-2-pyridinyl)methyl]-6-chloropurin-2-amine?
9-[(4-bromo-3,5-dimethyl-2-pyridinyl)methyl]-6-chloropurin-2-amine has a molecular weight of 367.64 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(4-bromo-3,5-dimethyl-2-pyridinyl)methyl]-6-chloropurin-2-amine is sourced from PubChem (CID 16736532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).